BDBM50032887 CHEMBL3342777::US9290459, 2::US9670166, 2

SMILES: CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N

InChI Key: InChIKey=VDHZKMQNVHKLNZ-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50032887   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukocyte elastase (Homo sapiens (Human))	BDBM50032887 (CHEMBL3342777 | US9290459, 2 | US9670166, 2) Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:3| Show InChI InChI=1S/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50032887 (CHEMBL3342777 | US9290459, 2 | US9670166, 2) Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:3| Show InChI InChI=1S/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50032887 (CHEMBL3342777 | US9290459, 2 | US9670166, 2) Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:3| Show InChI InChI=1S/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1182-3 (2014) Article DOI: 10.1021/ml500346u BindingDB Entry DOI: 10.7270/Q2N29ZJC
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50032887 (CHEMBL3342777 | US9290459, 2 | US9670166, 2) Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:3| Show InChI InChI=1S/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate after 15 mins by fluorescence assay				ACS Med Chem Lett 5: 1182-3 (2014) Article DOI: 10.1021/ml500346u BindingDB Entry DOI: 10.7270/Q2N29ZJC
					More data for this Ligand-Target Pair